phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-[3-(methylthio)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S2/c1-33-25-18-28(16-15-26-25)23(17-27-22-9-5-6-10-24(22)29)19-11-13-21(14-12-19)34(30,31)32-20-7-3-2-4-8-20/h2-14,23,25-27,29H,15-18H2,1H3